(E)-2-acetamido-3-[3-bromanyl-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enoic acid

Systemtic Name: (E)-2-acetamido-3-[3-bromanyl-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enoic acid Openeye Name: (E)-2-acetamido-3-[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enoic acid CAS Name: (E)-2-acetamido-3-[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-2-propenoic acid IUPAC Name: (E)-2-acetamido-3-[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enoic acid Traditional Name: (E)-2-acetamido-3-[3-bromo-5-methoxy-4-(4-nitrobenzyl)oxy-phenyl]acrylic acid Formula: C19H17BrN2O7 MolecularWeight: 465.25148

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)[N+](=O)[O-])OC)C(=O)O

Isomeric SMILES

CC(=O)N/C(=C/C1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)[N+](=O)[O-])OC)/C(=O)O

InChI

InChI=1S/C19H17BrN2O7/c1-11(23)21-16(19(24)25)8-13-7-15(20)18(17(9-13)28-2)29-10-12-3-5-14(6-4-12)22(26)27/h3-9H,10H2,1-2H3,(H,21,23)(H,24,25)/b16-8+